N,N-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N,N-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N,N-dimethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: N,N-dimethyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N,N-dimethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N,N-dimethyl-pyridin-1-ium-3-carboxamide chloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)C(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H19N3O2.ClH/c1-19(2)17(22)15-9-6-10-20(12-15)13-16(21)18-11-14-7-4-3-5-8-14;/h3-10,12H,11,13H2,1-2H3;1H